Information card for entry 4508077

Structure parameters

• Chemical name: pyridine(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis- dioxomolybdenum(VI)
• Formula: C19 H16 Mo N4 O5
• Calculated formula: C19 H16 Mo N4 O5
• SMILES: C1c2c(cc(cc2)OC)O[Mo]2([N]=1N=C(c1ccncc1)O2)([n]1ccccc1)(=O)=O
• Title of publication: Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal–Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects
• Authors of publication: Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 3773
• a: 12.1954 ± 0.0002 Å
• b: 10.7126 ± 0.0002 Å
• c: 14.7474 ± 0.0002 Å
• α: 90°
• β: 97.317 ± 0.002°
• γ: 90°
• Cell volume: 1910.98 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No